[4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine

C10H21F3N2O — CID 107895403

IUPAC[4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESCCCC(C)C(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H21F3N2O/c1-3-4-8(2)9(15-14)5-6-16-7-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3
InChIKeyKAZWBDNXVRCSNN-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.22
Rot. Bonds8

About [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine

[4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (PubChem CID 107895403) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
PubChem CID107895403
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name[4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESCCCC(C)C(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H21F3N2O/c1-3-4-8(2)9(15-14)5-6-16-7-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3
InChIKeyKAZWBDNXVRCSNN-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718517
[7,7,7-Trifluoro-1-(2-methoxyethoxy)heptan-3-yl]hydrazine
CID 102929865
(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103147984
5-Ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148109
1-(2,2-Difluoroethoxy)-5-methylheptan-3-amine
CID 103148839
1-(2,2-Difluoroethoxy)-5-ethylheptan-3-amine
CID 103149002
[1-Cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151444
[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446
[5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151447
[1-Cyclopropyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151457
[4-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine
CID 103151458

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The IUPAC name of [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (CID 107895403) is [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.
What is the SMILES notation for [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The canonical SMILES for [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is CCCC(C)C(CCOCC(F)(F)F)NN.
What is the InChIKey of [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The InChIKey is KAZWBDNXVRCSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-3-4-8(2)9(15-14)5-6-16-7-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3.
What are the key properties of [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
[4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine has a molecular weight of 242.28 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is sourced from PubChem (CID 107895403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).